SCHEMBL9305955

SCHEMBL9305955

CCOC(=O)Cc1c(C)n2c3c(cccc13)CCC2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
MAPK1 P28482 1/20 0.52
MCL1 Q07820 4/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
BCL2L1 Q07817 1/20 0.46
BCL2 P10415 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9304934 0.96 HTR2A (0.55) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL9303008 0.90 MCL1 (0.54) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL17686297 0.88 MCL1 (0.52) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL17686287 0.87 MCL1 (0.63) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL8554628 0.85 HTR2A (0.64) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL8556575 0.81 HTR2A (0.60) HTR2AHTR2CKMT2AMEN1MCL1
SCHEMBL9303580 0.81 MAPK1 (0.56) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL9302647 0.81 MAPK1 (0.55) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL8552561 0.81 MCL1 (0.57) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL17686291 0.79 MCL1 (0.50) HTR2AHTR2CKMT2AMEN1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed